8104-04615 Screening compound: {2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}[(3-methylthiophen-2-yl)methyl]amine

8104-04615 Screening compound: {2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}[(3-methylthiophen-2-yl)methyl]amine
8104-04615 Screening compound: {2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}[(3-methylthiophen-2-yl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8104-04615
{2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}[(3-methylthiophen-2-yl)methyl]amine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8104-04615

Molecular Formula

C10H15N5S2 (C10 H15 N5 S2)

Compound Name

{2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}[(3-methylthiophen-2-yl)methyl]amine

IUPAC name

{2-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl}[(3-methylthiophen-2-yl)methyl]amine

SMILES

Cc1c(CNCCSc2nnnn2C)scc1

InChI

InChI=1S/C10H15N5S2/c1-8-3-5-16-9(8)7-11-4-6-17-10-12-13-14-15(10)2/h3,5,11H,4,6-7H2,1-2H3

InChI Key

JJLOSXSPXLTEDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07406721

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

269.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.230

Distribution Coefficient, logD

-1.473

Water Solubility, LogSw

-1.55

Polar Surface Area

53.207

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

10.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8104-04615 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8104-04615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8104-04615?
Check Price and Availability of 8104-04615, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8104-04615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8104-04615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8104-04615
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8104-04615 available by request